3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol

C19H31NO2 — CID 82073844

IUPAC3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccc(C(O)CCN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)22-18-11-9-16(10-12-18)19(21)13-14-20(3)17-7-5-4-6-8-17/h9-12,15,17,19,21H,4-8,13-14H2,1-3H3
InChIKeyRYIIDXJQAVJZRC-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.16
Rot. Bonds7

About 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol

3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 82073844) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
PubChem CID82073844
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
SMILESCC(C)Oc1ccc(C(O)CCN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)22-18-11-9-16(10-12-18)19(21)13-14-20(3)17-7-5-4-6-8-17/h9-12,15,17,19,21H,4-8,13-14H2,1-3H3
InChIKeyRYIIDXJQAVJZRC-UHFFFAOYSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040
3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 110830706
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
1-(4-butan-2-ylphenyl)-2-[cyclohexyl(methyl)amino]ethanol
CID 82217010
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol (CID 82073844) is 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol is CC(C)Oc1ccc(C(O)CCN(C)C2CCCCC2)cc1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is RYIIDXJQAVJZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(2)22-18-11-9-16(10-12-18)19(21)13-14-20(3)17-7-5-4-6-8-17/h9-12,15,17,19,21H,4-8,13-14H2,1-3H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol?
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 82073844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).